[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone

C16H24N2O2 — CID 64583564

IUPAC[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCC(COC)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-9-17-15-6-4-14(5-7-15)16(19)18-10-8-13(11-18)12-20-2/h4-7,13,17H,3,8-12H2,1-2H3
InChIKeyYUXSDZGIGYMAHQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.62
Rot. Bonds6

About [3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone

[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone (PubChem CID 64583564) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone
PubChem CID64583564
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCC(COC)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-9-17-15-6-4-14(5-7-15)16(19)18-10-8-13(11-18)12-20-2/h4-7,13,17H,3,8-12H2,1-2H3
InChIKeyYUXSDZGIGYMAHQ-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179564
[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
CID 62205102
(4-hydrazinylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588870
methyl 4-[4-(methoxymethyl)piperidine-1-carbonyl]benzoate
CID 121091427
(3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 63605486
(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
CID 63626184
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-(propylamino)phenyl]methanone
CID 79933698
(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62178193
(3-bromo-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 79465138
[3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
CID 106588798
3-[4-[3-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]prop-2-enoic acid
CID 77048470
(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone?
The IUPAC name of [3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone (CID 64583564) is [3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone.
What is the SMILES notation for [3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone?
The canonical SMILES for [3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone is CCCNc1ccc(C(=O)N2CCC(COC)C2)cc1.
What is the InChIKey of [3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone?
The InChIKey is YUXSDZGIGYMAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-9-17-15-6-4-14(5-7-15)16(19)18-10-8-13(11-18)12-20-2/h4-7,13,17H,3,8-12H2,1-2H3.
What are the key properties of [3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone?
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone is sourced from PubChem (CID 64583564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).